Raw Data for "Small-Rotative Fixed-Target Serial Synchrotron Crystallography (SR-FT-SSX) for Molecular Crystals"

This dataset contains the raw data for Figures and plots in the manuscript "Small-Rotative Fixed-Target Serial Synchrotron Crystallography (SR-FT-SSX) for Molecular Crystals", published in Communications Chemistry (Nature) in 2024.The dataset contains:i) "Figure3_raw_FTgrid_outputs.csv" = raw data for the plots shown in Figure 3 of the main manuscript, showing the spread of output structure quality factors across the fixed target serial grid following the final iterative data processing procedure.ii) "dials.scale_multiscaler.log" = an example output file (in text format) from the multi-dataset scaling and merging procedures used to create the final dataset from several crystals identified from across the serial grid (available as indicated on Page 10 of the Supplementary Notes file, Supplementary Note 4).

本数据集收录了论文《小旋转固定靶串行同步辐射晶体学（SR-FT-SSX）在分子晶体中的应用》中插图及图表的原始数据，该论文发表于2024年的《化学通信》（Nature）。数据集包含以下内容：i) “Figure3_raw_FTgrid_outputs.csv”文件，该文件提供了主论文中图3所展示的图表的原始数据，展示了在最终迭代数据处理程序之后，固定靶串行网格中输出结构质量因子的分布情况。ii) “dials.scale_multiscaler.log”文件，该文件是用于从串行网格中识别出的多个晶体创建最终数据集的多数据集缩放和合并过程的一个示例输出文件（文本格式），具体信息可参考补充说明文件的第10页，补充说明4。